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SMILES: NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O

InChI Key: InChIKey=KAGPCWFBBKVWMA-MDZDMXLPSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 361269   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM361269
PNG
((S)-4-(2-Amino-1H-benzo[d]imidazol-4-yl)-N1-(1-ami...)
Show SMILES NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H18N10O5S2/c18-6-8(7-28)25-34(31,32)12-5-4-9(10-2-1-3-11-14(10)22-17(19)21-11)13(15(12)33(20,29)30)16-23-26-27-24-16/h1-5,8,25,28H,6-7,18H2,(H2,19,21)(H2,20,29,30)/b10-9+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.273n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US10221163 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9FB1
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM361269
PNG
((S)-4-(2-Amino-1H-benzo[d]imidazol-4-yl)-N1-(1-ami...)
Show SMILES NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H18N10O5S2/c18-6-8(7-28)25-34(31,32)12-5-4-9(10-2-1-3-11-14(10)22-17(19)21-11)13(15(12)33(20,29)30)16-23-26-27-24-16/h1-5,8,25,28H,6-7,18H2,(H2,19,21)(H2,20,29,30)/b10-9+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0320n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US10221163 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9FB1
More data for this
Ligand-Target Pair
Beta-lactamase


()
BDBM361269
PNG
((S)-4-(2-Amino-1H-benzo[d]imidazol-4-yl)-N1-(1-ami...)
Show SMILES NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H18N10O5S2/c18-6-8(7-28)25-34(31,32)12-5-4-9(10-2-1-3-11-14(10)22-17(19)21-11)13(15(12)33(20,29)30)16-23-26-27-24-16/h1-5,8,25,28H,6-7,18H2,(H2,19,21)(H2,20,29,30)/b10-9+
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.168n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10544130 (2020)


BindingDB Entry DOI: 10.7270/Q2C82CQH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Serratia marcescens)
BDBM361269
PNG
((S)-4-(2-Amino-1H-benzo[d]imidazol-4-yl)-N1-(1-ami...)
Show SMILES NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H18N10O5S2/c18-6-8(7-28)25-34(31,32)12-5-4-9(10-2-1-3-11-14(10)22-17(19)21-11)13(15(12)33(20,29)30)16-23-26-27-24-16/h1-5,8,25,28H,6-7,18H2,(H2,19,21)(H2,20,29,30)/b10-9+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.273n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US10544130 (2020)


BindingDB Entry DOI: 10.7270/Q2C82CQH
More data for this
Ligand-Target Pair
Metallo-beta-lactamase type 2


(Klebsiella pneumoniae)
BDBM361269
PNG
((S)-4-(2-Amino-1H-benzo[d]imidazol-4-yl)-N1-(1-ami...)
Show SMILES NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H18N10O5S2/c18-6-8(7-28)25-34(31,32)12-5-4-9(10-2-1-3-11-14(10)22-17(19)21-11)13(15(12)33(20,29)30)16-23-26-27-24-16/h1-5,8,25,28H,6-7,18H2,(H2,19,21)(H2,20,29,30)/b10-9+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0320n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10544130 (2020)


BindingDB Entry DOI: 10.7270/Q2C82CQH
More data for this
Ligand-Target Pair
VIM-1 metallo-beta-lactamase


(Klebsiella pneumoniae)
BDBM361269
PNG
((S)-4-(2-Amino-1H-benzo[d]imidazol-4-yl)-N1-(1-ami...)
Show SMILES NCC(CO)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nnn[nH]2)c1S(N)(=O)=O
Show InChI InChI=1S/C17H18N10O5S2/c18-6-8(7-28)25-34(31,32)12-5-4-9(10-2-1-3-11-14(10)22-17(19)21-11)13(15(12)33(20,29)30)16-23-26-27-24-16/h1-5,8,25,28H,6-7,18H2,(H2,19,21)(H2,20,29,30)/b10-9+
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.168n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...


US Patent US10221163 (2019)


BindingDB Entry DOI: 10.7270/Q2RX9FB1
More data for this
Ligand-Target Pair